1-[(5S)-3-methyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone

Systemtic Name: 1-[(5S)-3-methyl-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone Openeye Name: 1-[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-(m-tolylmethylsulfanyl)ethanone CAS Name: 1-[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[(3-methylphenyl)methylthio]ethanone IUPAC Name: 1-[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone Traditional Name: 1-[(5S)-5-hydroxy-3-methyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]-2-[(3-methylbenzyl)thio]ethanone Formula: C15H17F3N2O2S MolecularWeight: 346.36789

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(C1)(C(F)(F)F)O)C(=O)CSCC2=CC=CC(=C2)C

Isomeric SMILES

CC1=NN([C@](C1)(C(F)(F)F)O)C(=O)CSCC2=CC=CC(=C2)C

InChI

InChI=1S/C15H17F3N2O2S/c1-10-4-3-5-12(6-10)8-23-9-13(21)20-14(22,15(16,17)18)7-11(2)19-20/h3-6,22H,7-9H2,1-2H3/t14-/m0/s1